#------------------------------------------------------------------------------ #$Date: 2016-01-09 14:25:11 +0200 (Sat, 09 Jan 2016) $ #$Revision: 174052 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/74/2107414.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2107414 loop_ _publ_author_name 'Schellhaas, F.' 'Hartl, H.' 'Frydrych, R.' _publ_section_title ; Die Kristallstruktur von Kaliumhexajodatogermanat(IV) ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 2834 _journal_page_last 2838 _journal_volume 28 _journal_year 1972 _chemical_formula_sum 'Ge I6 K2 O18' _chemical_name_systematic 'K2 Ge (I O3)6' _space_group_IT_number 148 _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 11.164 _cell_length_b 11.164 _cell_length_c 11.336 _cell_volume 1223.574 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Schellhaas_ACBCAR_1972_600.cif _cod_data_source_block Ge1I6K2O18 _cod_chemical_formula_sum_orig 'Ge1 I6 K2 O18' _cod_database_code 2107414 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z -x,-y,-z y,-x+y,-z x-y,x,-z x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O3 O-2 0.61514 0.82525 0.9707 1 0.0 I1 I+5 0.68806 0.94321 0.10677 1 0.0 O2 O-2 0.84363 0.92292 0.10169 1 0.0 K1 K+1 0 0 0.32786 1 0.0 O1 O-2 0.60376 0.80838 0.21452 1 0.0 Ge1 Ge+4 0 0 0 1 0.0